3-phenyl-1-pyridin-4-ylbutan-2-amine

C15H18N2 — CID 114029119

IUPAC3-phenyl-1-pyridin-4-ylbutan-2-amine
SMILESCC(c1ccccc1)C(N)Cc1ccncc1
InChIInChI=1S/C15H18N2/c1-12(14-5-3-2-4-6-14)15(16)11-13-7-9-17-10-8-13/h2-10,12,15H,11,16H2,1H3
InChIKeySYADOTFULHGUGZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.76
Rot. Bonds4

About 3-phenyl-1-pyridin-4-ylbutan-2-amine

3-phenyl-1-pyridin-4-ylbutan-2-amine (PubChem CID 114029119) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-phenyl-1-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name3-phenyl-1-pyridin-4-ylbutan-2-amine
PubChem CID114029119
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-phenyl-1-pyridin-4-ylbutan-2-amine
SMILESCC(c1ccccc1)C(N)Cc1ccncc1
InChIInChI=1S/C15H18N2/c1-12(14-5-3-2-4-6-14)15(16)11-13-7-9-17-10-8-13/h2-10,12,15H,11,16H2,1H3
InChIKeySYADOTFULHGUGZ-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
3-propyl-1-pyridin-4-ylhexan-2-amine
CID 82987506
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
CID 115814018
1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
CID 66447930
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
4-phenyl-2-pyridin-3-ylbutane-1,3-diamine
CID 20848340
(2S,3R)-2-phenylheptan-3-amine
CID 11252501
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-pyridin-4-ylbutan-2-amine?
The IUPAC name of 3-phenyl-1-pyridin-4-ylbutan-2-amine (CID 114029119) is 3-phenyl-1-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 3-phenyl-1-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 3-phenyl-1-pyridin-4-ylbutan-2-amine is CC(c1ccccc1)C(N)Cc1ccncc1.
What is the InChIKey of 3-phenyl-1-pyridin-4-ylbutan-2-amine?
The InChIKey is SYADOTFULHGUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12(14-5-3-2-4-6-14)15(16)11-13-7-9-17-10-8-13/h2-10,12,15H,11,16H2,1H3.
What are the key properties of 3-phenyl-1-pyridin-4-ylbutan-2-amine?
3-phenyl-1-pyridin-4-ylbutan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 114029119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).